HEOM-QUICK2: a general-purpose simulator for fermionic many-body open quantum systems -- An Update
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866916480976683008 |
|---|---|
| author | Zhang, Daochi Ye, Lyuzhou Cao, Jiaan Wang, Yao Xu, Rui-Xue Zheng, Xiao Yan, YiJing |
| author_facet | Zhang, Daochi Ye, Lyuzhou Cao, Jiaan Wang, Yao Xu, Rui-Xue Zheng, Xiao Yan, YiJing |
| contents | Many-body open quantum systems (OQS) have a profound impact on various subdisciplines of physics, chemistry, and biology. Thus, the development of a computer program capable of accurately, efficiently, and versatilely simulating many-body OQS is highly desirable. In recent years, we have focused on the advancement of numerical algorithms based on the fermionic hierarchical equations of motion (HEOM) theory. Being in-principle exact, this approach allows for the precise characterization of many-body correlations, non-Markovian memory, and non-equilibrium thermodynamic conditions. These efforts now lead to the establishment of a new computer program, HEOM for QUantum Impurity with a Correlated Kernel, version 2 (HEOM-QUICK2), which, to the best of our knowledge, is currently the only general-purpose simulator for fermionic many-body OQS. Compared with version 1, the HEOM-QUICK2 program features more efficient solvers for stationary states, more accurate treatment of non-Markovian memory, and improved numerical stability for long-time dissipative dynamics. Integrated with quantum chemistry software, HEOM-QUICK2 has become a valuable theoretical tool for the precise simulation of realistic many-body OQS, particularly the single atomic or molecular junctions. Furthermore, the unprecedented precision achieved by HEOM-QUICK2 enables accurate simulation of low-energy spin excitations and coherent spin relaxation. The unique usefulness of HEOM-QUICK2 is demonstrated through several examples of strongly correlated quantum impurity systems under non-equilibrium conditions. Thus, the new HEOM-QUICK2 program offers a powerful and comprehensive tool for studying many-body OQS with exotic quantum phenomena and exploring applications in various disciplines. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_01715 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | HEOM-QUICK2: a general-purpose simulator for fermionic many-body open quantum systems -- An Update Zhang, Daochi Ye, Lyuzhou Cao, Jiaan Wang, Yao Xu, Rui-Xue Zheng, Xiao Yan, YiJing Strongly Correlated Electrons Statistical Mechanics Quantum Physics Many-body open quantum systems (OQS) have a profound impact on various subdisciplines of physics, chemistry, and biology. Thus, the development of a computer program capable of accurately, efficiently, and versatilely simulating many-body OQS is highly desirable. In recent years, we have focused on the advancement of numerical algorithms based on the fermionic hierarchical equations of motion (HEOM) theory. Being in-principle exact, this approach allows for the precise characterization of many-body correlations, non-Markovian memory, and non-equilibrium thermodynamic conditions. These efforts now lead to the establishment of a new computer program, HEOM for QUantum Impurity with a Correlated Kernel, version 2 (HEOM-QUICK2), which, to the best of our knowledge, is currently the only general-purpose simulator for fermionic many-body OQS. Compared with version 1, the HEOM-QUICK2 program features more efficient solvers for stationary states, more accurate treatment of non-Markovian memory, and improved numerical stability for long-time dissipative dynamics. Integrated with quantum chemistry software, HEOM-QUICK2 has become a valuable theoretical tool for the precise simulation of realistic many-body OQS, particularly the single atomic or molecular junctions. Furthermore, the unprecedented precision achieved by HEOM-QUICK2 enables accurate simulation of low-energy spin excitations and coherent spin relaxation. The unique usefulness of HEOM-QUICK2 is demonstrated through several examples of strongly correlated quantum impurity systems under non-equilibrium conditions. Thus, the new HEOM-QUICK2 program offers a powerful and comprehensive tool for studying many-body OQS with exotic quantum phenomena and exploring applications in various disciplines. |
| title | HEOM-QUICK2: a general-purpose simulator for fermionic many-body open quantum systems -- An Update |
| topic | Strongly Correlated Electrons Statistical Mechanics Quantum Physics |
| url | https://arxiv.org/abs/2401.01715 |